451 citations · 1.9k across the 26 of their papers we have counts for
26 papers
Theoretical investigation of the vertical dielectric screening dependence on defects for few-layered van der Waals materials
Amit Singh, Seunghan Lee, Hyeonhu Bae +3
First-principle calculations were employed to analyze the effects induced by vacancies of molybdenum (Mo) and sulfur (S) on the dielectric properties of few-layered MoS2. We explor…
Unidirectional Alignment of AgCN Microwires on Distorted Transition Metal Dichalcogenide Crystals
Myeongjin Jang, Hyeonhu Bae, Yangjin Lee +6
Van der Waals epitaxy on the surface of two-dimensional (2D) layered crystals has gained significant research interest for the assembly of well-ordered nanostructures and fabricati…
Enhancement in hydrogen storage capacities of light metal functionalized Boron Graphdiyne nanosheets
T. Hussain, B. Mortazavi, H. Bae +3
The recent experimental synthesis of the two-dimensional (2D)boron-graphdiyne (BGDY) nanosheet has motivated us to investigate its structural, electronic,and energy storage propert…
The Nature of Interlayer Binding and Stacking of - Hybridized Carbon Layers: A Quantum Monte Carlo Study
Hyeondeok Shin, Jeongnim Kim, Hoonkyung Lee +3
-graphyne is a two-dimensional sheet of - hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridize…
Steric effects of CO2 binding to transition metal-benzene complexes: a first-principles study
Hyeonhu Bae, Bing Huang, Hoonkyung Lee
Using density functional theory (DFT) calculations, we investigated the adsorption of CO2 molecules on 3d transition metal (TM)-benzene complexes. Our calculations show that the ma…
High-throughput screening of metal-porphyrin-like graphenes for selective capture of carbon dioxide
Hyeonhu Bae, Minwoo Park, Byungryul Jang +9
Nano-materials, such as metal-organic frameworks, have been considered to capture CO. However, their application has been limited largely because they exhibit poor selectivity…